SCHEMBL8137635

SCHEMBL8137635

CCS(=O)(=O)C(O)c1nc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.55
ALOX5 P09917 9/20 0.54
MAPK11 Q15759 7/20 0.54
CSNK1A1 P48729 3/20 0.54
CSNK1D P48730 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CSNK1E P49674 2/20 0.54
CSNK1A1L Q8N752 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPK13 O15264 6/20 0.52
MAPK12 P53778 6/20 0.52
GCGR P47871 4/20 0.52
PRKD3 O94806 2/20 0.52
MAP4K4 O95819 2/20 0.52
FRK P42685 2/20 0.52
MAPK9 P45984 2/20 0.52
GSK3B P49841 2/20 0.52
PTK6 Q13882 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
PRKD2 Q9BZL6 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9646788 0.79 MAPK14 (0.67) MAPK14ALOX5MAPK11CSNK1A1CSNK1D
SCHEMBL1387734 0.79 MAPK14 (0.67) MAPK14ALOX5MAPK11CSNK1A1CSNK1D
SCHEMBL8113784 0.78 MAPK14 (0.60) MAPK14ALOX5MAPK11CSNK1A1CSNK1D
SCHEMBL6601709 0.78 MAPK14 (0.60) MAPK14ALOX5MAPK11CSNK1A1CSNK1D
SCHEMBL4919226 0.77 MAPK14 (0.58) MAPK14ALOX5MAPK11CSNK1A1CSNK1D
SCHEMBL8112645 0.77 ALOX5 (0.59) MAPK14ALOX5MAPK11CSNK1A1CSNK1D
SCHEMBL5767827 0.75 MAPK14 (0.60) MAPK14ALOX5MAPK11CSNK1A1CSNK1D
SCHEMBL22068721 0.74 PTGS1 (0.78) MAPK14ALOX5MAPK11CSNK1A1CSNK1D
SCHEMBL7084169 0.72 PTGS2 (0.67) MAPK14ALOX5MAPK11CSNK1A1CSNK1D
SCHEMBL4473119 0.71 MAPK14 (0.65) MAPK14ALOX5MAPK11CSNK1A1CSNK1D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994858-A1 2-SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES Ortho-McNeil Pharmaceutical, Inc. (US) 2000-04-26 EP claimed
WO-1999003837-A1 2-SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-01-28 WO claimed